Linear solvation energy relationships. 44. Parameter estimation rules that allow accurate prediction of octanol/water partition coefficients and other solubility and toxicity properties of polychlorinated biphenyls and polycylic aromatic hydrocarbons

Mortimer J. Kamlet, Ruth M. Doherty, Peter W Carr, Donald Mackay, Michael H. Abraham, Robert W. Taft

Research output: Contribution to journalArticlepeer-review

108 Scopus citations

Abstract

Methods are presented for estimation of VI (intrinsic molar volume), π* and β of polychlorinated biphenyls and polycyclic aromatic hydrocarbons. Taken with the equation [formula omitted] reported recently by Leahy, these parameter estimation rules allow prediction of log kow with a precision that is better than the usual reproducibility of the measurements between laboratories.

Original languageEnglish (US)
Pages (from-to)503-509
Number of pages7
JournalEnvironmental Science and Technology
Volume22
Issue number5
DOIs
StatePublished - Apr 1 1988

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